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62538-21-0,MFCD00052669
Catalog No.:AA0038I8

62538-21-0 | 2-(4-Chlorophenyl)-3-oxopropanenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$68.00   $48.00
- +
1g
98%
in stock  
$168.00   $117.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0038I8
Chemical Name:
2-(4-Chlorophenyl)-3-oxopropanenitrile
CAS Number:
62538-21-0
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD00052669
SMILES:
O=CC(c1ccc(cc1)Cl)C#N
Properties
Computed Properties
 
Complexity:
200  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Russell;Hitchings[JournaloftheAmericanChemicalSociety,1951,vol.73,p.3763,3766]

[1]Russell;Whittaker[JournaloftheAmericanChemicalSociety,1952,vol.74,p.1310,1312]

[1]Russell;Whittaker[JournaloftheAmericanChemicalSociety,1952,vol.74,p.1310,1312]

62-53-3    62538-21-0   
3-anilino-2-(4-chloro-phenyl)-acrylonitrile 

[1]Logemannetal.[ChemischeBerichte,1954,vol.87,p.435,439][ChemischeBerichte,1954,vol.87,p.1175,1178]

78-83-1    62538-21-0   
2-(4-chloro-phenyl)-3-isobutoxy-acrylonitrile 

[1]Chaseetal.[JournaloftheChemicalSociety,1951,p.3439,3442]

Literature
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SDS
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Tags:62538-21-0 Molecular Formula|62538-21-0 MDL|62538-21-0 SMILES|62538-21-0 2-(4-Chlorophenyl)-3-oxopropanenitrile